1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

C14H17ClN2O3 — CID 2473565

IUPAC1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-12-3-2-10(15)8-11(12)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18)
InChIKeyKTHRYODEPISQOI-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.69
Rot. Bonds3

About 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 2473565) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID2473565
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-12-3-2-10(15)8-11(12)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18)
InChIKeyKTHRYODEPISQOI-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
N-(4-carbamoylphenyl)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55903833
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56502217
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (CID 2473565) is 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is KTHRYODEPISQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-12-3-2-10(15)8-11(12)14(19)17-6-4-9(5-7-17)13(16)18/h2-3,8-9H,4-7H2,1H3,(H2,16,18).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 296.75 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 2473565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).